5NXD
LIM Domain Kinase 2 (LIMK2) In Complex With TH-300
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-04-15 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 63.275, 66.605, 82.124 |
Unit cell angles | 90.00, 97.43, 90.00 |
Refinement procedure
Resolution | 66.610 - 1.900 |
R-factor | 0.19666 |
Rwork | 0.195 |
R-free | 0.23042 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4tpt |
RMSD bond length | 0.018 |
RMSD bond angle | 1.900 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 66.610 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.072 | 0.659 |
Number of reflections | 51845 | 2625 |
<I/σ(I)> | 11.1 | 2.2 |
Completeness [%] | 97.5 | 99.5 |
Redundancy | 3.3 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.1 M bis-tris-propane pH 7.5 0.2 M Na2SO4 10% ethylene glycol 17% PEG3.35K |